2-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)phenanthren-2-yl]-9,9'-spirobi[fluorene]

C70H42 — CID 142721747

IUPAC2-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)phenanthren-2-yl]-9,9'-spirobi[fluorene]
SMILESc1ccc(-c2cc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc3ccc4ccc(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)cc4c23)cc1
InChIInChI=1S/C70H42/c1-2-16-43(17-3-1)59-40-49(47-35-37-57-55-23-9-15-29-65(55)70(67(57)42-47)62-26-12-6-20-52(62)53-21-7-13-27-63(53)70)38-48-33-31-44-30-32-45(39-58(44)68(48)59)46-34-36-56-54-22-8-14-28-64(54)69(66(56)41-46)60-24-10-4-18-50(60)51-19-5-11-25-61(51)69/h1-42H
InChIKeyDNZDRBRWDZYOGH-UHFFFAOYSA-N
MW883.11 g/mol
LogP17.68
Rot. Bonds3

About 2-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)phenanthren-2-yl]-9,9'-spirobi[fluorene]

2-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)phenanthren-2-yl]-9,9'-spirobi[fluorene] (PubChem CID 142721747) has the molecular formula C70H42 and a molecular weight of 883.11 g/mol. Its IUPAC name is 2-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)phenanthren-2-yl]-9,9'-spirobi[fluorene].

Molecular Properties

Compound Name2-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)phenanthren-2-yl]-9,9'-spirobi[fluorene]
PubChem CID142721747
Molecular FormulaC70H42
Molecular Weight883.11 g/mol
Exact Mass882.33
IUPAC Name2-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)phenanthren-2-yl]-9,9'-spirobi[fluorene]
SMILESc1ccc(-c2cc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc3ccc4ccc(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)cc4c23)cc1
InChIInChI=1S/C70H42/c1-2-16-43(17-3-1)59-40-49(47-35-37-57-55-23-9-15-29-65(55)70(67(57)42-47)62-26-12-6-20-52(62)53-21-7-13-27-63(53)70)38-48-33-31-44-30-32-45(39-58(44)68(48)59)46-34-36-56-54-22-8-14-28-64(54)69(66(56)41-46)60-24-10-4-18-50(60)51-19-5-11-25-61(51)69/h1-42H
InChIKeyDNZDRBRWDZYOGH-UHFFFAOYSA-N
XLogP17.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500883.11
LogP ≤ 517.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2,2'-di(perylen-2-yl)-9,9'-spirobi[fluorene]
CID 91280575
2-[4-(3,5-diphenylphenyl)phenyl]-9,9'-spirobi[fluorene]
CID 140831168
2-[4-[2-phenyl-4,6-bis(4-phenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene];2-[4-[2,4,6-tris(4-phenylphenyl)phenyl]phenyl]-9,9'-spirobi[fluorene]
CID 158891851
N,N-diphenyl-4-[7-(9,9'-spirobi[fluorene]-2-yl)pyren-2-yl]aniline
CID 90164601
2-[3-[6-(4-naphthalen-2-ylphenyl)pyren-1-yl]phenyl]-9,9'-spirobi[fluorene]
CID 170778750
2-[3-(6-naphthalen-2-ylnaphthalen-2-yl)phenyl]-9,9'-spirobi[fluorene]
CID 140710700
2-[3-[3-[3-(4-naphthalen-1-ylphenyl)phenyl]phenyl]phenyl]-9,9'-spirobi[fluorene]
CID 154591149
2-[9,10-bis(2,3,4,5,6-pentakis-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)anthracen-2-yl]-9,9'-spirobi[fluorene]
CID 167352769
2-(9,10-dinaphthalen-2-ylanthracen-2-yl)-9,9'-spirobi[fluorene]
CID 58251701
2-chrysen-3-yl-4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine
CID 157161440
2-(4-phenylphenyl)-4-[4-[6-(9,9'-spirobi[fluorene]-2-yl)naphthalen-2-yl]phenyl]quinoline
CID 129302329
4-phenyl-2-pyridin-2-yl-6-[7-(9,9'-spirobi[fluorene]-2-yl)phenanthren-2-yl]quinoline
CID 135132558

Frequently Asked Questions

What is the IUPAC name of 2-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)phenanthren-2-yl]-9,9'-spirobi[fluorene]?
The IUPAC name of 2-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)phenanthren-2-yl]-9,9'-spirobi[fluorene] (CID 142721747) is 2-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)phenanthren-2-yl]-9,9'-spirobi[fluorene].
What is the SMILES notation for 2-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)phenanthren-2-yl]-9,9'-spirobi[fluorene]?
The canonical SMILES for 2-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)phenanthren-2-yl]-9,9'-spirobi[fluorene] is c1ccc(-c2cc(-c3ccc4c(c3)C3(c5ccccc5-c5ccccc53)c3ccccc3-4)cc3ccc4ccc(-c5ccc6c(c5)C5(c7ccccc7-c7ccccc75)c5ccccc5-6)cc4c23)cc1.
What is the InChIKey of 2-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)phenanthren-2-yl]-9,9'-spirobi[fluorene]?
The InChIKey is DNZDRBRWDZYOGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H42/c1-2-16-43(17-3-1)59-40-49(47-35-37-57-55-23-9-15-29-65(55)70(67(57)42-47)62-26-12-6-20-52(62)53-21-7-13-27-63(53)70)38-48-33-31-44-30-32-45(39-58(44)68(48)59)46-34-36-56-54-22-8-14-28-64(54)69(66(56)41-46)60-24-10-4-18-50(60)51-19-5-11-25-61(51)69/h1-42H.
What are the key properties of 2-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)phenanthren-2-yl]-9,9'-spirobi[fluorene]?
2-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)phenanthren-2-yl]-9,9'-spirobi[fluorene] has a molecular weight of 883.11 g/mol, XLogP of 17.68, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)phenanthren-2-yl]-9,9'-spirobi[fluorene] is sourced from PubChem (CID 142721747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).